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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Nov-2022	phenyl_C4_35_TS2_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1721.93600917; Eh
	22-Nov-2022	DMA_C2-C6_33_TS_MN15_def2-QZVPP_SMD_chloroform	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2QZVPP	-1760.66469323; Eh
	22-Nov-2022	DMA_C8_33_TS_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1625.04814246; Eh
	22-Nov-2022	SH_C2-C5_33_TS_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	DEF2SVP	-2287.21440531; Eh
	29-Jun-2018	/upload/prototype A_TS	dos Passos Gomes, Gabriel	Gaussian; 09; EM64L-G09RevC.01	Geometry optimization TS	RM062X	-	-596.850736827; Eh
	29-Jun-2018	/upload/Me_oDCB C_TS	dos Passos Gomes, Gabriel	Gaussian; 09; AM64L-G09RevC.01	Geometry optimization TS	RM062X	-	-1227.26739340; Eh
	29-Jun-2018	/upload/Me_oDCB A_TS	dos Passos Gomes, Gabriel	Gaussian; 09; AM64L-G09RevC.01	Geometry optimization TS	RM062X	-	-1227.24904348; Eh
	4-Jun-2018	TS13-01F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-2008.72489002; Eh
	4-Jun-2018	TS20-21F	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-2408.26727625; Eh
	22-Nov-2022	OCH3_C4_35_TS1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1605.67947008; Eh

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